Glycoside
GD119286
Name:
NoneFormula:
C38H43O13N5Smiles:
NC1N=C(O)C2NCN(c3ccccc3Cc3cc4c(c(OCC(O)CC=O)c3OC3OC(CO)C(O)C(O)C3(O)CCO)C(=O)c3ccccc3C4=O)C2N1Aglycone:
NC1N=C(O)C2NCN(c3ccccc3Cc3cc4c(c(OCC(O)CC=O)c3O)C(=O)c3ccccc3C4=O)C2N1Sugarmoiety:
OCCC1(O)C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.42 |
| AlogP: | -1.82 | Num_rotatable_bonds: | 13 |
| MolWt: | 777.78 | Num_heavy_atoms: | 56 |
| TPSA: | 286.19 | NumAromaticRings: | 3 |
Unique Aglycone
AD47760
Formula: C30H29O7N5
Smiles:
NC1N=C(O)C2NCN(c3ccccc3Cc3cc4c(c(OCC(O)CC=O)c3O)C(=O)c3ccccc3C4=O)C2N1| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.27 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 8 |
| MolWt: | 571.59 | Num_heavy_atoms: | 42 |
| TPSA: | 186.81 | NumAromaticRings: | 3 |
